2-[[2-methylpropyl(pentan-3-yl)carbamoyl]amino]pentanoic acid

C15H30N2O3 — CID 79491051

IUPAC2-[[2-methylpropyl(pentan-3-yl)carbamoyl]amino]pentanoic acid
SMILESCCCC(NC(=O)N(CC(C)C)C(CC)CC)C(=O)O
InChIInChI=1S/C15H30N2O3/c1-6-9-13(14(18)19)16-15(20)17(10-11(4)5)12(7-2)8-3/h11-13H,6-10H2,1-5H3,(H,16,20)(H,18,19)
InChIKeyVUVXOXAOXVYGIM-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.10
Rot. Bonds9

About 2-[[2-methylpropyl(pentan-3-yl)carbamoyl]amino]pentanoic acid

2-[[2-methylpropyl(pentan-3-yl)carbamoyl]amino]pentanoic acid (PubChem CID 79491051) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-[[2-methylpropyl(pentan-3-yl)carbamoyl]amino]pentanoic acid.

Molecular Properties

Compound Name2-[[2-methylpropyl(pentan-3-yl)carbamoyl]amino]pentanoic acid
PubChem CID79491051
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name2-[[2-methylpropyl(pentan-3-yl)carbamoyl]amino]pentanoic acid
SMILESCCCC(NC(=O)N(CC(C)C)C(CC)CC)C(=O)O
InChIInChI=1S/C15H30N2O3/c1-6-9-13(14(18)19)16-15(20)17(10-11(4)5)12(7-2)8-3/h11-13H,6-10H2,1-5H3,(H,16,20)(H,18,19)
InChIKeyVUVXOXAOXVYGIM-UHFFFAOYSA-N
XLogP3.10
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-4-hydroxy-2-[[2-methylpropyl(pentan-3-yl)carbamoyl]amino]butanoic acid
CID 107828338
2-[[2-methylpropyl(pentan-3-yl)carbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 79489367
(2S)-2-[[ethyl(2-methylbutyl)carbamoyl]amino]pentanoic acid
CID 107567246
(2R)-2-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]pentanoic acid
CID 107566606
2-[[butan-2-yl(ethyl)carbamoyl]amino]hexanoic acid
CID 61199662
2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]pentanoic acid
CID 104553016
(2R)-2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]pentanoic acid
CID 107567559
(2R)-2-[[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]pentanoic acid
CID 107566625
(2S)-2-[[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]amino]pentanoic acid
CID 107566626
(2S)-2-(butan-2-ylcarbamoylamino)pentanoic acid
CID 107565859
2-[[2-hydroxyethyl(pentan-3-yl)carbamoyl]amino]-5-methoxypentanoic acid
CID 81085055
2-[[butyl(methyl)carbamoyl]amino]pentanoic acid
CID 61184623

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methylpropyl(pentan-3-yl)carbamoyl]amino]pentanoic acid?
The IUPAC name of 2-[[2-methylpropyl(pentan-3-yl)carbamoyl]amino]pentanoic acid (CID 79491051) is 2-[[2-methylpropyl(pentan-3-yl)carbamoyl]amino]pentanoic acid.
What is the SMILES notation for 2-[[2-methylpropyl(pentan-3-yl)carbamoyl]amino]pentanoic acid?
The canonical SMILES for 2-[[2-methylpropyl(pentan-3-yl)carbamoyl]amino]pentanoic acid is CCCC(NC(=O)N(CC(C)C)C(CC)CC)C(=O)O.
What is the InChIKey of 2-[[2-methylpropyl(pentan-3-yl)carbamoyl]amino]pentanoic acid?
The InChIKey is VUVXOXAOXVYGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-6-9-13(14(18)19)16-15(20)17(10-11(4)5)12(7-2)8-3/h11-13H,6-10H2,1-5H3,(H,16,20)(H,18,19).
What are the key properties of 2-[[2-methylpropyl(pentan-3-yl)carbamoyl]amino]pentanoic acid?
2-[[2-methylpropyl(pentan-3-yl)carbamoyl]amino]pentanoic acid has a molecular weight of 286.42 g/mol, XLogP of 3.10, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methylpropyl(pentan-3-yl)carbamoyl]amino]pentanoic acid is sourced from PubChem (CID 79491051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).